1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea

C18H24N4O2 — CID 110896144

IUPAC1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)c1cc(CNC(=O)N(CCO)Cc2ccccc2)ccn1
InChIInChI=1S/C18H24N4O2/c1-21(2)17-12-16(8-9-19-17)13-20-18(24)22(10-11-23)14-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,20,24)
InChIKeyAPWRAGQBTRIFPG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.85
Rot. Bonds7

About 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea (PubChem CID 110896144) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
PubChem CID110896144
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)c1cc(CNC(=O)N(CCO)Cc2ccccc2)ccn1
InChIInChI=1S/C18H24N4O2/c1-21(2)17-12-16(8-9-19-17)13-20-18(24)22(10-11-23)14-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,20,24)
InChIKeyAPWRAGQBTRIFPG-UHFFFAOYSA-N
XLogP1.85
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 86837574
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
4-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959584
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
4-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111153004

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea (CID 110896144) is 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea is CN(C)c1cc(CNC(=O)N(CCO)Cc2ccccc2)ccn1.
What is the InChIKey of 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is APWRAGQBTRIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)17-12-16(8-9-19-17)13-20-18(24)22(10-11-23)14-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 328.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).